tert-butyl N-ethyl-N-[[2-(pentan-2-ylamino)phenyl]methyl]carbamate

C19H32N2O2 — CID 107242570

IUPACtert-butyl N-ethyl-N-[[2-(pentan-2-ylamino)phenyl]methyl]carbamate
SMILESCCCC(C)Nc1ccccc1CN(CC)C(=O)OC(C)(C)C
InChIInChI=1S/C19H32N2O2/c1-7-11-15(3)20-17-13-10-9-12-16(17)14-21(8-2)18(22)23-19(4,5)6/h9-10,12-13,15,20H,7-8,11,14H2,1-6H3
InChIKeyJTQAPWVLVAQFBP-UHFFFAOYSA-N
MW320.48 g/mol
LogP5.04
Rot. Bonds7

About tert-butyl N-ethyl-N-[[2-(pentan-2-ylamino)phenyl]methyl]carbamate

tert-butyl N-ethyl-N-[[2-(pentan-2-ylamino)phenyl]methyl]carbamate (PubChem CID 107242570) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[[2-(pentan-2-ylamino)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[[2-(pentan-2-ylamino)phenyl]methyl]carbamate
PubChem CID107242570
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Nametert-butyl N-ethyl-N-[[2-(pentan-2-ylamino)phenyl]methyl]carbamate
SMILESCCCC(C)Nc1ccccc1CN(CC)C(=O)OC(C)(C)C
InChIInChI=1S/C19H32N2O2/c1-7-11-15(3)20-17-13-10-9-12-16(17)14-21(8-2)18(22)23-19(4,5)6/h9-10,12-13,15,20H,7-8,11,14H2,1-6H3
InChIKeyJTQAPWVLVAQFBP-UHFFFAOYSA-N
XLogP5.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[[2-(3-aminopropylamino)phenyl]methyl]-N-ethylcarbamate
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tert-butyl N-[[2-(cyclopropanecarbonylamino)phenyl]methyl]-N-ethylcarbamate
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2-[(dimethylamino)methyl]-N-pentan-2-ylaniline
CID 43750163
tert-butyl N-[[2-(3-methoxybutan-2-ylamino)phenyl]methyl]-N-methylcarbamate
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tert-butyl N-ethyl-N-[[2-[[4-(methoxymethyl)benzoyl]amino]phenyl]methyl]carbamate
CID 55700705
tert-butyl N-ethyl-N-[[2-[[2-(3-fluorophenyl)acetyl]amino]phenyl]methyl]carbamate
CID 55700391
tert-butyl N-[[2-[(2,5-difluorobenzoyl)amino]phenyl]methyl]-N-ethylcarbamate
CID 55700706
2-[2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]anilino]propanoic acid
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tert-butyl N-[[2-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methyl]-N-methylcarbamate
CID 107242385
tert-butyl N-[[2-[(5-bromothiophene-3-carbonyl)amino]phenyl]methyl]-N-ethylcarbamate
CID 60557887
tert-butyl N-ethyl-N-[[2-(3-thiophen-3-ylpropanoylamino)phenyl]methyl]carbamate
CID 55700260

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[[2-(pentan-2-ylamino)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[[2-(pentan-2-ylamino)phenyl]methyl]carbamate (CID 107242570) is tert-butyl N-ethyl-N-[[2-(pentan-2-ylamino)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[[2-(pentan-2-ylamino)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[[2-(pentan-2-ylamino)phenyl]methyl]carbamate is CCCC(C)Nc1ccccc1CN(CC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[[2-(pentan-2-ylamino)phenyl]methyl]carbamate?
The InChIKey is JTQAPWVLVAQFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-7-11-15(3)20-17-13-10-9-12-16(17)14-21(8-2)18(22)23-19(4,5)6/h9-10,12-13,15,20H,7-8,11,14H2,1-6H3.
What are the key properties of tert-butyl N-ethyl-N-[[2-(pentan-2-ylamino)phenyl]methyl]carbamate?
tert-butyl N-ethyl-N-[[2-(pentan-2-ylamino)phenyl]methyl]carbamate has a molecular weight of 320.48 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[[2-(pentan-2-ylamino)phenyl]methyl]carbamate is sourced from PubChem (CID 107242570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).